Details of the Drug

General Information of Drug (ID: DMWS35F)

• Drug Name: (4-((1H-imidazol-1-yl)methyl)phenyl)methanol
• Synonyms: [4-(1H-Imidazol-1-ylmethyl)phenyl]methanol; 103573-92-8; CHEMBL590987; (4-((1H-imidazol-1-yl)methyl)phenyl)methanol; {4-[(1H-Imidazol-1-yl)methyl]phenyl}methanol; [4-(imidazol-1-ylmethyl)phenyl]methanol; SCHEMBL10661787; CTK8G4735; DTXSID80575387; FSLVBXCLXDGFRE-UHFFFAOYSA-N; MolPort-000-143-260; SBB090788; ZINC12370277; BDBM50307211; AKOS006344218; RP03593; [4-(imidazolylmethyl)phenyl]methan-1-ol; KB-63739; DB-059022; 4-(1H-Imidazole-1-ylmethyl)benzenemethanol; Y6875; FT-0708208; 4-((1H-imidazol-1-yl)methyl)phenylmethanol

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 188.23
  Logarithm of the Partition Coefficient (xlogp); 0.7
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C11H12N2O
  IUPAC Name: [4-(imidazol-1-ylmethyl)phenyl]methanol
  Canonical SMILES: C1=CC(=CC=C1CN2C=CN=C2)CO
  InChI: InChI=1S/C11H12N2O/c14-8-11-3-1-10(2-4-11)7-13-6-5-12-9-13/h1-6,9,14H,7-8H2
  InChIKey: FSLVBXCLXDGFRE-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 15594569
  CAS Number: 103573-92-8
  TTD ID: D0N8QD

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Steroid 11-beta-hydroxylase (CYP11B1)	TTIQUX7	C11B1_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Steroid 11-beta-hydroxylase (CYP11B1)	DTT	CYP11B1	4.31E-04	-0.03	-0.13

References

• [1] Synthesis, biological evaluation, and molecular modeling of 1-benzyl-1H-imidazoles as selective inhibitors of aldosterone synthase (CYP11B2). J Med Chem. 2010 Feb 25;53(4):1712-25.